Geometry & MOs

Info

ID:	440754
PubChem CID:	135231292
Reduced:	ClOSN4H19C20 (1)
Stoich.:	ABCD4E19F20 (1)
Weight, g/mol:	361.151178
ΔH_f, kcal/mol:	36.05
Dipole, Da:	4.34
IP(EA), eV:	-8.33(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(2-fluoro-4-methylsulfonylphenyl)ethyl]-6-propan-2-yl-2,3-dihydroindole

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CSNC2=CC=C(C=C2)NC(=O)NCC3=CC=NC=C3)Cl

DOS

IR

Vibrations